3-methyl-7-pyridin-4-yl-N-quinolin-2-yl-1-benzothiophene-2-carboxamide

C24H17N3OS — CID 155545348

IUPAC3-methyl-7-pyridin-4-yl-N-quinolin-2-yl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc3ccccc3n2)sc2c(-c3ccncc3)cccc12
InChIInChI=1S/C24H17N3OS/c1-15-18-6-4-7-19(16-11-13-25-14-12-16)23(18)29-22(15)24(28)27-21-10-9-17-5-2-3-8-20(17)26-21/h2-14H,1H3,(H,26,27,28)
InChIKeyNLHBWKNEYCCCRY-UHFFFAOYSA-N
MW395.49 g/mol
LogP6.07
Rot. Bonds3

About 3-methyl-7-pyridin-4-yl-N-quinolin-2-yl-1-benzothiophene-2-carboxamide

3-methyl-7-pyridin-4-yl-N-quinolin-2-yl-1-benzothiophene-2-carboxamide (PubChem CID 155545348) has the molecular formula C24H17N3OS and a molecular weight of 395.49 g/mol. Its IUPAC name is 3-methyl-7-pyridin-4-yl-N-quinolin-2-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-7-pyridin-4-yl-N-quinolin-2-yl-1-benzothiophene-2-carboxamide
PubChem CID155545348
Molecular FormulaC24H17N3OS
Molecular Weight395.49 g/mol
Exact Mass395.11
IUPAC Name3-methyl-7-pyridin-4-yl-N-quinolin-2-yl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc3ccccc3n2)sc2c(-c3ccncc3)cccc12
InChIInChI=1S/C24H17N3OS/c1-15-18-6-4-7-19(16-11-13-25-14-12-16)23(18)29-22(15)24(28)27-21-10-9-17-5-2-3-8-20(17)26-21/h2-14H,1H3,(H,26,27,28)
InChIKeyNLHBWKNEYCCCRY-UHFFFAOYSA-N
XLogP6.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.49
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-pyridin-4-yl-N-quinolin-2-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-methyl-7-pyridin-4-yl-N-quinolin-2-yl-1-benzothiophene-2-carboxamide (CID 155545348) is 3-methyl-7-pyridin-4-yl-N-quinolin-2-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-7-pyridin-4-yl-N-quinolin-2-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-methyl-7-pyridin-4-yl-N-quinolin-2-yl-1-benzothiophene-2-carboxamide is Cc1c(C(=O)Nc2ccc3ccccc3n2)sc2c(-c3ccncc3)cccc12.
What is the InChIKey of 3-methyl-7-pyridin-4-yl-N-quinolin-2-yl-1-benzothiophene-2-carboxamide?
The InChIKey is NLHBWKNEYCCCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3OS/c1-15-18-6-4-7-19(16-11-13-25-14-12-16)23(18)29-22(15)24(28)27-21-10-9-17-5-2-3-8-20(17)26-21/h2-14H,1H3,(H,26,27,28).
What are the key properties of 3-methyl-7-pyridin-4-yl-N-quinolin-2-yl-1-benzothiophene-2-carboxamide?
3-methyl-7-pyridin-4-yl-N-quinolin-2-yl-1-benzothiophene-2-carboxamide has a molecular weight of 395.49 g/mol, XLogP of 6.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-pyridin-4-yl-N-quinolin-2-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 155545348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).